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BDBM88701 4-methoxy-N-[2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-3-(1-pyrrolidinylsulfonyl)benzamide::4-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide::4-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrolidin-1-ylsulfonylbenzamide::4-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidino-ethyl]-3-pyrrolidinosulfonyl-benzamide::MLS002155885::SMR001238403::cid_16296062

SMILES: COc1ccc(cc1)C(CNC(=O)c1ccc(OC)c(c1)S(=O)(=O)N1CCCC1)N1CCCC1

InChI Key: InChIKey=CDWSHTIYNLVRAA-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 88701   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM88701
PNG
(4-methoxy-N-[2-(4-methoxyphenyl)-2-(1-pyrrolidinyl...)
Show SMILES COc1ccc(cc1)C(CNC(=O)c1ccc(OC)c(c1)S(=O)(=O)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C25H33N3O5S/c1-32-21-10-7-19(8-11-21)22(27-13-3-4-14-27)18-26-25(29)20-9-12-23(33-2)24(17-20)34(30,31)28-15-5-6-16-28/h7-12,17,22H,3-6,13-16,18H2,1-2H3,(H,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q22N50WB
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM88701
PNG
(4-methoxy-N-[2-(4-methoxyphenyl)-2-(1-pyrrolidinyl...)
Show SMILES COc1ccc(cc1)C(CNC(=O)c1ccc(OC)c(c1)S(=O)(=O)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C25H33N3O5S/c1-32-21-10-7-19(8-11-21)22(27-13-3-4-14-27)18-26-25(29)20-9-12-23(33-2)24(17-20)34(30,31)28-15-5-6-16-28/h7-12,17,22H,3-6,13-16,18H2,1-2H3,(H,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q26D5RK7
More data for this
Ligand-Target Pair